Molecular dynamics algorithm for the simulation of polymer-liquid-crystal self-organization using a distributed processor system

Alexander N. Efleev

doi:10.1117/12.299608

1 January 1998 Molecular dynamics algorithm for the simulation of polymer-liquid-crystal self-organization using a distributed processor system

Alexander N. Efleev

Author Affiliations +

Proceedings Volume 3345, International Workshop on New Approaches to High-Tech Materials: Nondestructive Testing and Computer Simulations in Materials Science and Engineering; (1998) https://doi.org/10.1117/12.299608
Event: International Workshop on New Approaches to High Tech Materials: Nondestructive Testing and Computer Simulations in Materials Science and Engineering, 1997, St. Petersburg, Russian Federation

Abstract

In this contribution, I report on a molecular-dynamics algorithm for the simulation of the self- organization of longitudinal polymer liquid crystals on the fully-distributed computer system. The peculiarities of the hardware and software for this system are discussed. It is shown that the parallelization of algorithm is carried out by the distribution of all the particles incorporated into a macromolecule among several processors connected to each other in the framework of selected virtual topology and by the parallel execution of several program copies by these processors. The timing of execution at the system of different processor numbers is discussed.

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Alexander N. Efleev "Molecular dynamics algorithm for the simulation of polymer-liquid-crystal self-organization using a distributed processor system", Proc. SPIE 3345, International Workshop on New Approaches to High-Tech Materials: Nondestructive Testing and Computer Simulations in Materials Science and Engineering, (1 January 1998); https://doi.org/10.1117/12.299608

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